SCHEMBL6151336

SCHEMBL6151336

Clc1ccc(C2(Cn3ccnc3)CO2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.53
CYP17A1 P05093 3/20 0.53
CYP21A2 P08686 3/20 0.53
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
ADRA2C P18825 1/20 0.51
ADRA1A P35348 1/20 0.49
HMOX1 P09601 2/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP19A1 P11511 2/20 0.46
CYP7A1 P22680 1/20 0.46
CYP2A6 P11509 1/20 0.45
CYP11B2 P19099 1/20 0.45
CYP2B6 P20813 1/20 0.45
ALOX5 P09917 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10917859 1.00 CYP11B1 (0.53) CYP11B1CYP17A1CYP21A2USP2ALDH1A1
SCHEMBL10921681 1.00 CYP11B1 (0.53) CYP11B1CYP17A1CYP21A2USP2ALDH1A1
SCHEMBL9665448 0.86 USP2 (0.46) CYP11B1CYP17A1CYP21A2USP2ALDH1A1
SCHEMBL9665455 0.86 USP2 (0.46) CYP11B1CYP17A1CYP21A2USP2ALDH1A1
SCHEMBL10675480 0.86 USP2 (0.46) CYP11B1CYP17A1CYP21A2USP2ALDH1A1
SCHEMBL394138 0.85 CYP21A2 (0.61) CYP11B1CYP17A1CYP21A2USP2ALDH1A1
SCHEMBL29402298 0.85 CYP21A2 (0.61) CYP11B1CYP17A1CYP21A2USP2ALDH1A1
Hydrochloric Acid SCHEMBL9996071 0.84 CYP21A2 (0.60) CYP11B1CYP17A1CYP21A2USP2ALDH1A1
SCHEMBL10516594 0.84 USP2 (0.45) CYP11B1CYP17A1CYP21A2USP2ALDH1A1
SCHEMBL9667152 0.84 USP2 (0.45) CYP11B1CYP17A1CYP21A2USP2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409461-B1 NOVEL AZOLE OR TRIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS FUNGICIDES AVENTIS PHARMA SA (FR) 2011-02-23 EP disclosed
US-6960600-B2 Azole or triazole derivatives, method for preparing the same and use thereof as antifungal medicaments AVENTIS PHARMA S.A. (FR) 2005-11-01 US disclosed
EP-1409440-A4 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM & HAAS (US) 2005-09-14 EP disclosed
EP-1387837-B1 NOVEL AZOLE OR TRIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS ANTIFUNGAL MEDICINES AVENTIS PHARMA SA (FR) 2005-07-27 EP disclosed
US-20040192922-A1 Novel azole or triazole derivatives, method for preparing the same and use thereof as antifungal medicaments AVENTIS PHARMA S.A. (FR) 2004-09-30 US disclosed
EP-1409440-A1 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM AND HAAS COMPANY (US) 2004-04-21 EP disclosed
EP-1387837-A1 NOVEL AZOLE OR TRIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS ANTIFUNGAL MEDICINES Aventis Pharma S.A. (FR) 2004-02-11 EP disclosed
WO-2002090350-A1 NOVEL AZOLE OR TRIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS ANTIFUNGAL MEDICINES AVENTIS PHARMA S.A. (FR) 2002-11-14 WO disclosed
WO-2002068367-A1 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM AND HAAS COMPANY (US) 2002-09-06 WO disclosed
EP-0278105-B1 2,4,4-TRI- AND 2,2,4,4-TETRA-SUBSTITUTED-1,3-DIOXOLANE SCHERING CORP (US) 1992-05-06 EP disclosed
EP-0077037-B1 IMIDAZOLYLCARBOXYLIC ACIDS, THEIR DERIVATIVES AND PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-02-05 EP disclosed
EP-0054974-B1 IMIDAZOLYLPROPANOL COMPOUNDS AND THEIR ACID ADDITION SALTS, AND PRODUCTION AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-07-10 EP disclosed
EP-0072623-B1 IMIDAZOLE ANTIFUNGAL AGENTS Pfizer Limited (GB) 1985-06-05 EP disclosed
US-4461774-A Antifungal imidazolylcarboxylic acids and their derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-07-24 US disclosed
US-4435399-A 2-Aryl-1-(imidazol-1-yl)-8-(4-piperazin-1-ylphenoxy) octan-2-ol antifungal agents PFIZER INC. (US) 1984-03-06 US disclosed
EP-0098942-A1 Optically active imidazolylpropanol compounds, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-01-25 EP disclosed
EP-0077037-A1 Imidazolylcarboxylic acids, their derivatives and production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-04-20 EP disclosed
EP-0072623-A1 Imidazole antifungal agents Pfizer Limited (GB) 1983-02-23 EP disclosed
EP-0054974-A1 Imidazolylpropanol compounds and their acid addition salts, and production and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-06-30 EP disclosed
EP-0023103-A1 Antifungal imidazole derivatives, process for their preparation and pharmaceutical compositions thereof Pfizer Limited (GB) 1981-01-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040192922-A1 Novel azole or triazole derivatives, method for preparing the same and use thereof as antifungal medicaments ERG28, CYP51A1, CYP3A7 CYP11B1 8/4885CYP17A1 21/4885CYP21A2 25/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.